SCHEMBL4312299

SCHEMBL4312299

NN1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 1/20 0.46
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
JAK2 O60674 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4317470 0.90 NOTUM (0.56) NOTUMDRD2DRD4DRD3MEN1
SCHEMBL4311394 0.86 MEN1 (0.45) NOTUMDRD2DRD4DRD3MEN1
SCHEMBL4307369 0.86 DRD2 (0.51) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL4307364 0.86 NOTUM (0.56) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL4320548 0.86 NOTUM (0.61) NOTUMDRD2DRD4DRD3MEN1
SCHEMBL4314667 0.85 CYP11B1 (0.45) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL4343036 0.85 DRD2 (0.55) NOTUMDRD2DRD4DRD3CXCR1
SCHEMBL4307346 0.84 HDAC3 (0.41) NOTUMDRD2DRD4DRD3HTT
SCHEMBL4307102 0.83 MAPT (0.43) NOTUMDRD2DRD4DRD3MEN1
SCHEMBL4311372 0.83 MCHR1 (0.44) NOTUMDRD2DRD4DRD3CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 NOTUM 4303/4885DRD2 3195/4885DRD4 2082/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.